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(4R*,5R*)-5-(4-Fluorophenyl)-4-hydroxy-4-(phenylethynyl)-2-cyclohexenone
SpectraBase Compound ID Gg2xEhtZiay
InChI InChI=1S/C20H15FO2/c21-17-8-6-16(7-9-17)19-14-18(22)11-13-20(19,23)12-10-15-4-2-1-3-5-15/h1-9,11,13,19,23H,14H2/t19-,20-/m1/s1
InChIKey YBHGZXXXFJKOEW-WOJBJXKFSA-N
Mol Weight 306.34 g/mol
Molecular Formula C20H15FO2
Exact Mass 306.105608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IfhjCC0OWII
Name (4R*,5R*)-5-(4-Fluorophenyl)-4-hydroxy-4-(phenylethynyl)-2-cyclohexenone
Alternate Name(s) (4R,5R)-5-(4-fluorophenyl)-4-hydroxy-4-(phenylethynyl)-2-cyclohexen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15FO2
InChI InChI=1S/C20H15FO2/c21-17-8-6-16(7-9-17)19-14-18(22)11-13-20(19,23)12-10-15-4-2-1-3-5-15/h1-9,11,13,19,23H,14H2/t19-,20-/m1/s1
InChIKey YBHGZXXXFJKOEW-WOJBJXKFSA-N
Molecular Weight 306.336 g/mol
SMILES O[C@@]1(C#Cc2ccccc2)[C@@](c2ccc(cc2)F)(CC(C=C1)=O)[H]
SPLASH splash10-0far-0930000000-8543b6d98e4fd747966d
Source of Spectrum SO-0-129-3
Wiley ID 1542947